PPIRE08628

Target Protein Information
Protein_Name Renin
Protein_Sequence MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
Organism_Source Homo sapiens
Functional_Classification aspartic proteases
Cellular_Localization Extracellular
Gene_Names REN
UniProt_ID P00797
Protein-Protein Interaction Networks
Peptide Basic Information
Peptide_Name RIP
Peptide_Sequence PHPHFFVYK
Peptide_Length 9
Peptide_SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O
Chemical_Modification None
Cyclization_Method None
Linear/Cyclic Linear
N-terminal_Modification Free
C-terminal_Modification Free
Amino_Acid_Distribution
Peptide Physicochemical
Molecular_Weight 1171.37
Aliphatic_Index 32.22222
Aromaticity 0.33333
Average_Rotatable_Bonds 3.44444
Charge_at_pH_7 1.17866
Isoelectric_Point 9.30306
Number_of_Hydrogen_Bond_Acceptors 14
Number_of_Hydrogen_Bond_Donors 13
Topological_Polar_Surface_Area 376.95000
X_logP_energy 0.35790
Interaction Information
Affinity Ki=5 uM
Affinity_Assay Enzyme Inhibition Kinetics
PDB_ID None
Type Inhibitor
Structure
Reference Information
Document_Type Research Articles
Title Cardiotonic agents. 1. Synthesis and structure-activity relationships in a new class of 3-, 4-, and 5-pyridyl-2(1H)-quinolone derivatives.
Release_Year 1987
PMID 3783603
DOI 10.1021/jm00162a002